Compound Detail
CHEMBL468855
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Basic Information
| ChEMBL ID | CHEMBL468855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEAOSCFPRGAUHT-QWRGUYRKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
1.60
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of human recombinant MAOA | 18640844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18640844 | 10.1016/j.bmc.2008.06.048 | No relevant target | 2 |
| 18640844 | 10.1016/j.bmc.2008.06.048 | Amine oxidase [flavin-containing] A | 1 |
| 18640844 | 10.1016/j.bmc.2008.06.048 | Amine oxidase [flavin-containing] B | 1 |
| 18640844 | 10.1016/j.bmc.2008.06.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine